1-(7-methoxy-2,4,7,9-tetramethyldec-5-en-4-yl)oxypropan-2-one

C18H34O3 — CID 89060192

IUPAC1-(7-methoxy-2,4,7,9-tetramethyldec-5-en-4-yl)oxypropan-2-one
SMILESCOC(C)(C=CC(C)(CC(C)C)OCC(C)=O)CC(C)C
InChIInChI=1S/C18H34O3/c1-14(2)11-17(6,20-8)9-10-18(7,12-15(3)4)21-13-16(5)19/h9-10,14-15H,11-13H2,1-8H3
InChIKeyCIKMEVONFUDNKF-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.40
Rot. Bonds10

About 1-(7-methoxy-2,4,7,9-tetramethyldec-5-en-4-yl)oxypropan-2-one

1-(7-methoxy-2,4,7,9-tetramethyldec-5-en-4-yl)oxypropan-2-one (PubChem CID 89060192) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-(7-methoxy-2,4,7,9-tetramethyldec-5-en-4-yl)oxypropan-2-one.

Molecular Properties

Compound Name1-(7-methoxy-2,4,7,9-tetramethyldec-5-en-4-yl)oxypropan-2-one
PubChem CID89060192
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name1-(7-methoxy-2,4,7,9-tetramethyldec-5-en-4-yl)oxypropan-2-one
SMILESCOC(C)(C=CC(C)(CC(C)C)OCC(C)=O)CC(C)C
InChIInChI=1S/C18H34O3/c1-14(2)11-17(6,20-8)9-10-18(7,12-15(3)4)21-13-16(5)19/h9-10,14-15H,11-13H2,1-8H3
InChIKeyCIKMEVONFUDNKF-UHFFFAOYSA-N
XLogP4.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-2,4,7,9-tetramethyldec-5-en-4-yl)oxypropan-2-one?
The IUPAC name of 1-(7-methoxy-2,4,7,9-tetramethyldec-5-en-4-yl)oxypropan-2-one (CID 89060192) is 1-(7-methoxy-2,4,7,9-tetramethyldec-5-en-4-yl)oxypropan-2-one.
What is the SMILES notation for 1-(7-methoxy-2,4,7,9-tetramethyldec-5-en-4-yl)oxypropan-2-one?
The canonical SMILES for 1-(7-methoxy-2,4,7,9-tetramethyldec-5-en-4-yl)oxypropan-2-one is COC(C)(C=CC(C)(CC(C)C)OCC(C)=O)CC(C)C.
What is the InChIKey of 1-(7-methoxy-2,4,7,9-tetramethyldec-5-en-4-yl)oxypropan-2-one?
The InChIKey is CIKMEVONFUDNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3/c1-14(2)11-17(6,20-8)9-10-18(7,12-15(3)4)21-13-16(5)19/h9-10,14-15H,11-13H2,1-8H3.
What are the key properties of 1-(7-methoxy-2,4,7,9-tetramethyldec-5-en-4-yl)oxypropan-2-one?
1-(7-methoxy-2,4,7,9-tetramethyldec-5-en-4-yl)oxypropan-2-one has a molecular weight of 298.47 g/mol, XLogP of 4.40, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-2,4,7,9-tetramethyldec-5-en-4-yl)oxypropan-2-one is sourced from PubChem (CID 89060192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).